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26547-86-4

26547-86-4 | Butanoic acid, 2-chloro-3,3-dimethyl-, (R)- (9CI)

CAS No: 26547-86-4 Catalog No: AG002TNO MDL No:

Product Description

Catalog Number:
AG002TNO
Chemical Name:
Butanoic acid, 2-chloro-3,3-dimethyl-, (R)- (9CI)
CAS Number:
26547-86-4
Molecular Formula:
C6H11ClO2
Molecular Weight:
150.6033
IUPAC Name:
(2R)-2-chloro-3,3-dimethylbutanoic acid
InChI:
InChI=1S/C6H11ClO2/c1-6(2,3)4(7)5(8)9/h4H,1-3H3,(H,8,9)/t4-/m0/s1
InChI Key:
MRMBZUFUXAUVPR-BYPYZUCNSA-N
SMILES:
Cl[C@H](C(C)(C)C)C(=O)O

Properties

Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
150.045g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.602g/mol
Monoisotopic Mass:
150.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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